(R)-N-[(4S)-3,3-dimethyl-1-oxa-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide

C14H28N2O2S — CID 139427230

IUPAC(R)-N-[(4S)-3,3-dimethyl-1-oxa-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide
SMILESCC1(C)COC2(CCNCC2)[C@H]1N[S@](=O)C(C)(C)C
InChIInChI=1S/C14H28N2O2S/c1-12(2,3)19(17)16-11-13(4,5)10-18-14(11)6-8-15-9-7-14/h11,15-16H,6-10H2,1-5H3/t11-,19+/m0/s1
InChIKeyXBSQNOHQABSODN-JEOXALJRSA-N
MW288.46 g/mol
LogP1.59
Rot. Bonds2

About (R)-N-[(4S)-3,3-dimethyl-1-oxa-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide

(R)-N-[(4S)-3,3-dimethyl-1-oxa-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide (PubChem CID 139427230) has the molecular formula C14H28N2O2S and a molecular weight of 288.46 g/mol. Its IUPAC name is (R)-N-[(4S)-3,3-dimethyl-1-oxa-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(R)-N-[(4S)-3,3-dimethyl-1-oxa-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide
PubChem CID139427230
Molecular FormulaC14H28N2O2S
Molecular Weight288.46 g/mol
Exact Mass288.19
IUPAC Name(R)-N-[(4S)-3,3-dimethyl-1-oxa-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide
SMILESCC1(C)COC2(CCNCC2)[C@H]1N[S@](=O)C(C)(C)C
InChIInChI=1S/C14H28N2O2S/c1-12(2,3)19(17)16-11-13(4,5)10-18-14(11)6-8-15-9-7-14/h11,15-16H,6-10H2,1-5H3/t11-,19+/m0/s1
InChIKeyXBSQNOHQABSODN-JEOXALJRSA-N
XLogP1.59
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(R)-N-[(3R,4S)-3-fluoro-2-oxa-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide
CID 156102020
(R)-N-[(3S,4S)-3-fluoro-2-oxa-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide
CID 156624884
(R)-2-methyl-N-((S)-2-oxa-8-azaspiro[4.5]decan-4-yl)propane-2-sulfinamide
CID 118247975
N-methyl-N-[(3S)-1-oxa-8-azaspiro[4.5]decan-3-yl]cyclopropanesulfonamide
CID 126506394
N-methyl-N-[(3R)-1-oxa-8-azaspiro[4.5]decan-3-yl]cyclopropanesulfonamide
CID 126506465
N-methyl-N-(1-oxa-8-azaspiro[4.5]decan-3-yl)cyclobutanesulfonamide
CID 126506529
N-methyl-N-(1-oxa-8-azaspiro[4.5]decan-3-yl)cyclopentanesulfonamide
CID 126506909
N,2-dimethyl-N-[(3R)-1-oxa-8-azaspiro[4.5]decan-3-yl]propane-2-sulfonamide
CID 135237429
1-cyclopropyl-N-methyl-N-[(3R)-1-oxa-8-azaspiro[4.5]decan-3-yl]methanesulfonamide
CID 135238150
2-methyl-N-(3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl)propane-2-sulfinamide
CID 135241137
2-methyl-N-((3S,4S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl)propane-2-sulfinamide
CID 135257204
(S)-2-Methyl-N-((3S,4S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl)propane-2-sulfinamide
CID 135389010

Frequently Asked Questions

What is the IUPAC name of (R)-N-[(4S)-3,3-dimethyl-1-oxa-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide?
The IUPAC name of (R)-N-[(4S)-3,3-dimethyl-1-oxa-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide (CID 139427230) is (R)-N-[(4S)-3,3-dimethyl-1-oxa-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (R)-N-[(4S)-3,3-dimethyl-1-oxa-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (R)-N-[(4S)-3,3-dimethyl-1-oxa-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide is CC1(C)COC2(CCNCC2)[C@H]1N[S@](=O)C(C)(C)C.
What is the InChIKey of (R)-N-[(4S)-3,3-dimethyl-1-oxa-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide?
The InChIKey is XBSQNOHQABSODN-JEOXALJRSA-N. The full InChI is InChI=1S/C14H28N2O2S/c1-12(2,3)19(17)16-11-13(4,5)10-18-14(11)6-8-15-9-7-14/h11,15-16H,6-10H2,1-5H3/t11-,19+/m0/s1.
What are the key properties of (R)-N-[(4S)-3,3-dimethyl-1-oxa-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide?
(R)-N-[(4S)-3,3-dimethyl-1-oxa-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide has a molecular weight of 288.46 g/mol, XLogP of 1.59, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-N-[(4S)-3,3-dimethyl-1-oxa-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 139427230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).